2-(11,12-dimethyl-5-oxo-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-(6-methyl-2-pyridinyl)acetamide

C17H16N6O2S — CID 95797905

IUPAC2-(11,12-dimethyl-5-oxo-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-(6-methyl-2-pyridinyl)acetamide
SMILESCc1cccc(NC(=O)Cn2nc3c4c(C)c(C)sc4ncn3c2=O)n1
InChIInChI=1S/C17H16N6O2S/c1-9-5-4-6-12(19-9)20-13(24)7-23-17(25)22-8-18-16-14(15(22)21-23)10(2)11(3)26-16/h4-6,8H,7H2,1-3H3,(H,19,20,24)
InChIKeyIWBODFPIYANTDD-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.06
Rot. Bonds3

About 2-(11,12-dimethyl-5-oxo-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-(6-methyl-2-pyridinyl)acetamide

2-(11,12-dimethyl-5-oxo-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-(6-methyl-2-pyridinyl)acetamide (PubChem CID 95797905) has the molecular formula C17H16N6O2S and a molecular weight of 368.42 g/mol. Its IUPAC name is 2-(11,12-dimethyl-5-oxo-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-(6-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(11,12-dimethyl-5-oxo-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-(6-methyl-2-pyridinyl)acetamide
PubChem CID95797905
Molecular FormulaC17H16N6O2S
Molecular Weight368.42 g/mol
Exact Mass368.11
IUPAC Name2-(11,12-dimethyl-5-oxo-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-(6-methyl-2-pyridinyl)acetamide
SMILESCc1cccc(NC(=O)Cn2nc3c4c(C)c(C)sc4ncn3c2=O)n1
InChIInChI=1S/C17H16N6O2S/c1-9-5-4-6-12(19-9)20-13(24)7-23-17(25)22-8-18-16-14(15(22)21-23)10(2)11(3)26-16/h4-6,8H,7H2,1-3H3,(H,19,20,24)
InChIKeyIWBODFPIYANTDD-UHFFFAOYSA-N
XLogP2.06
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(11,12-dimethyl-5-oxo-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-(6-methyl-2-pyridinyl)acetamide with MolForge

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Related Compounds

2-(11,12-dimethyl-5-oxo-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 53043523
2-(11,12-dimethyl-5-oxo-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 53074185
N-(2,3-dimethylphenyl)-2-[(13R)-13-methyl-5-oxo-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,7,11(16)-tetraen-4-yl]acetamide
CID 95058981
N-(2-methylphenyl)-2-(5-oxo-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,7,11(16)-tetraen-4-yl)acetamide
CID 53043506
N-(2,6-diethylphenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 1078246
N-(3,4-dimethylphenyl)-2-(5-oxo-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,7,11(16)-tetraen-4-yl)acetamide
CID 53074218
2-(7-ethyl-3-oxo-12,14-dioxa-2,4,5-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),5,7,9,11(15)-pentaen-4-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 126468375
2-(12-ethyl-11-methyl-5-oxo-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N,N-dimethylacetamide
CID 126468490
N-(6-methyl-2-pyridinyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052387
N-(3-chlorophenyl)-2-(14-oxo-9-thia-11,13,15,16-tetrazatetracyclo[8.7.0.02,8.013,17]heptadeca-1(10),2(8),11,16-tetraen-15-yl)acetamide
CID 53074258
2-[(11,12-dimethyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 1077883
N-(2-fluoro-4-methylphenyl)-2-(5-oxo-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,7,11(16)-tetraen-4-yl)acetamide
CID 53043586

Frequently Asked Questions

What is the IUPAC name of 2-(11,12-dimethyl-5-oxo-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-(6-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(11,12-dimethyl-5-oxo-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-(6-methyl-2-pyridinyl)acetamide (CID 95797905) is 2-(11,12-dimethyl-5-oxo-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-(6-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(11,12-dimethyl-5-oxo-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-(6-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(11,12-dimethyl-5-oxo-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-(6-methyl-2-pyridinyl)acetamide is Cc1cccc(NC(=O)Cn2nc3c4c(C)c(C)sc4ncn3c2=O)n1.
What is the InChIKey of 2-(11,12-dimethyl-5-oxo-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-(6-methyl-2-pyridinyl)acetamide?
The InChIKey is IWBODFPIYANTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2S/c1-9-5-4-6-12(19-9)20-13(24)7-23-17(25)22-8-18-16-14(15(22)21-23)10(2)11(3)26-16/h4-6,8H,7H2,1-3H3,(H,19,20,24).
What are the key properties of 2-(11,12-dimethyl-5-oxo-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-(6-methyl-2-pyridinyl)acetamide?
2-(11,12-dimethyl-5-oxo-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-(6-methyl-2-pyridinyl)acetamide has a molecular weight of 368.42 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11,12-dimethyl-5-oxo-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-(6-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 95797905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).